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22942-23-0 | Phosphorothioic acid, O-[4-[[[[(dimethylamino)carbonyl]oxy]imino]methyl]phenyl] O,O-diethyl ester
CAS No: 22942-23-0 Catalog No: AG002LM1 MDL No:
Product Description
Catalog Number:
AG002LM1
Chemical Name:
Phosphorothioic acid, O-[4-[[[[(dimethylamino)carbonyl]oxy]imino]methyl]phenyl] O,O-diethyl ester
CAS Number:
22942-23-0
Molecular Formula:
C14H21N2O5PS
Molecular Weight:
360.3657
IUPAC Name:
[(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] N,N-dimethylcarbamate
InChI:
InChI=1S/C14H21N2O5PS/c1-5-18-22(23,19-6-2)21-13-9-7-12(8-10-13)11-15-20-14(17)16(3)4/h7-11H,5-6H2,1-4H3
InChI Key:
KYFJLBDYNHBXFW-UHFFFAOYSA-N
SMILES:
CCOP(=S)(Oc1ccc(cc1)C=NOC(=O)N(C)C)OCC
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.365g/mol
Monoisotopic Mass:
360.091g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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